| Sulfur and selenium antioxidants: Challenging radical scavenging mechanisms and developing structure–activity relationships based on metal binding MT Zimmerman, CA Bayse, RR Ramoutar, JL Brumaghim Journal of inorganic biochemistry 145, 30-40, 2015 | 143 | 2015 |
| Modeling the mechanism of the glutathione peroxidase mimic ebselen S Antony, CA Bayse Inorganic chemistry 50 (23), 12075-12084, 2011 | 117 | 2011 |
| Prediction of the geometries of simple transition metal polyhydride complexes by symmetry analysis CA Bayse, MB Hall Journal of the American Chemical Society 121 (6), 1348-1358, 1999 | 91 | 1999 |
| Is halogen bonding the basis for iodothyronine deiodinase activity? CA Bayse, ER Rafferty Inorganic chemistry 49 (12), 5365-5367, 2010 | 84 | 2010 |
| Network formation and photoluminescence in copper (I) halide complexes with substituted piperazine ligands JP Safko, JE Kuperstock, SM McCullough, AM Noviello, X Li, JP Killarney, ... Dalton Transactions 41 (38), 11663-11674, 2012 | 79 | 2012 |
| Synthesis, characterization, and DFT studies of thione and selone Cu (I) complexes with variable coordination geometries MM Kimani, CA Bayse, JL Brumaghim Dalton Transactions 40 (14), 3711-3723, 2011 | 64 | 2011 |
| Redox active motifs in selenoproteins F Li, PB Lutz, Y Pepelyayeva, ESJ Arnér, CA Bayse, S Rozovsky Proceedings of the National Academy of Sciences 111 (19), 6976-6981, 2014 | 63 | 2014 |
| Predicting trigger bonds in explosive materials through Wiberg bond index analysis LK Harper, AL Shoaf, CA Bayse ChemPhysChem 16 (18), 3886-3892, 2015 | 62 | 2015 |
| The Theoretical 77Se Chemical Shift as a Probe of Selenium State in Selenoproteins and Their Mimics CA Bayse Inorganic chemistry 43 (4), 1208-1210, 2004 | 60 | 2004 |
| Toward the generation of NO in biological systems theoretical studies of the N2O2 grouping DK Taylor, I Bytheway, DHR Barton, CA Bayse, MB Hall The Journal of Organic Chemistry 60 (2), 435-444, 1995 | 60 | 1995 |
| Photoluminescence of 1-D copper (I) cyanide chains: A theoretical description CA Bayse, TP Brewster, RD Pike Inorganic Chemistry 48 (1), 174-182, 2009 | 56 | 2009 |
| The Lewis acidity of bismuth (III) halides: a DFT analysis J Sanderson, CA Bayse Tetrahedron 64 (33), 7685-7689, 2008 | 51 | 2008 |
| Determination of copper binding sites in peptides containing basic residues: a combined experimental and theoretical study BK Bluhm, SJ Shields, CA Bayse, MB Hall, DH Russell International Journal of Mass Spectrometry 204 (1-3), 31-46, 2001 | 50 | 2001 |
| DFT study of the glutathione peroxidase-like activity of phenylselenol incorporating solvent-assisted proton exchange CA Bayse The Journal of Physical Chemistry A 111 (37), 9070-9075, 2007 | 48 | 2007 |
| Relative strengths of Se⋯ N, O interactions: Implications for glutathione peroxidase activity CA Bayse, RA Baker, KN Ortwine Inorganica chimica acta 358 (13), 3849-3854, 2005 | 47 | 2005 |
| Complementary selenium··· iodine halogen bonding and phenyl embraces: cocrystals of triphenylphosphine selenide with organoiodides HD Arman, ER Rafferty, CA Bayse, WT Pennington Crystal growth & design 12 (9), 4315-4323, 2012 | 46 | 2012 |
| Effects of nucleobase metalation on frontier molecular orbitals: Potential implications for π-stacking interactions with tryptophan AI Anzellotti, CA Bayse, NP Farrell Inorganic chemistry 47 (22), 10425-10431, 2008 | 46 | 2008 |
| Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange CA Bayse Organic & Biomolecular Chemistry 9 (13), 4748-4751, 2011 | 45 | 2011 |
| Theoretical studies of models of the active site of the tungstoenzyme acetylene hydratase S Antony, CA Bayse Organometallics 28 (17), 4938-4944, 2009 | 45 | 2009 |
| Experimental and theoretical evidence for cyclic selenurane formation during selenomethionine oxidation JA Ritchey, BM Davis, PA Pleban, CA Bayse Organic & biomolecular chemistry 3 (24), 4337-4342, 2005 | 45 | 2005 |
